N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylpiperidine-1-carboxamide

C13H19BrN2OS — CID 79160058

IUPACN-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)N(C)Cc2cc(Br)cs2)C1
InChIInChI=1S/C13H19BrN2OS/c1-10-4-3-5-16(7-10)13(17)15(2)8-12-6-11(14)9-18-12/h6,9-10H,3-5,7-8H2,1-2H3
InChIKeyPNGCFUKGKHNJGF-UHFFFAOYSA-N
MW331.28 g/mol
LogP3.79
Rot. Bonds2

About N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylpiperidine-1-carboxamide

N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylpiperidine-1-carboxamide (PubChem CID 79160058) has the molecular formula C13H19BrN2OS and a molecular weight of 331.28 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylpiperidine-1-carboxamide
PubChem CID79160058
Molecular FormulaC13H19BrN2OS
Molecular Weight331.28 g/mol
Exact Mass330.04
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)N(C)Cc2cc(Br)cs2)C1
InChIInChI=1S/C13H19BrN2OS/c1-10-4-3-5-16(7-10)13(17)15(2)8-12-6-11(14)9-18-12/h6,9-10H,3-5,7-8H2,1-2H3
InChIKeyPNGCFUKGKHNJGF-UHFFFAOYSA-N
XLogP3.79
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.28
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]piperidine-3-carboxylic acid
CID 81120312
N,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-1-carboxamide
CID 116656098
N-(furan-2-ylmethyl)-N,3-dimethylpiperidine-1-carboxamide
CID 116654269
N-[(4-bromothiophen-2-yl)methyl]-2-hydroxy-N-methylcyclopentane-1-carboxamide
CID 110015284
3-[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63782030
1-[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63147067
N-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-1-carboxamide
CID 78971404
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-oxocyclohexane-1-carboxamide
CID 115150459
N-[(5-bromothiophen-3-yl)methyl]-N-methylazepane-1-carboxamide
CID 79152022
N-[(4-bromothiophen-2-yl)methyl]-2-(4-cyclohexyloxypiperidin-1-yl)-N-methylacetamide
CID 86873854
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-[4-(2-methylpropoxy)piperidin-1-yl]acetamide
CID 78903323
1-[2-[(4-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119905113

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylpiperidine-1-carboxamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylpiperidine-1-carboxamide (CID 79160058) is N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylpiperidine-1-carboxamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylpiperidine-1-carboxamide is CC1CCCN(C(=O)N(C)Cc2cc(Br)cs2)C1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylpiperidine-1-carboxamide?
The InChIKey is PNGCFUKGKHNJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2OS/c1-10-4-3-5-16(7-10)13(17)15(2)8-12-6-11(14)9-18-12/h6,9-10H,3-5,7-8H2,1-2H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylpiperidine-1-carboxamide?
N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylpiperidine-1-carboxamide has a molecular weight of 331.28 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 79160058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).